BDBM176872 US10307413, Compound 44::US10391089, Compound 44::US10980794, Cmpd No 44::US9675614, 44

SMILES: O[C@@H](CNC(=O)c1cccc(NC2CCOCC2)c1)CN1CCc2ccccc2C1

InChI Key: InChIKey=LAWDUEFJOJENIJ-QHCPKHFHSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 176872   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
PRMT5/MeP50 (Homo sapiens (Human))	BDBM176872 (US10307413, Compound 44 | US10391089, Compound 44 ...) Show SMILES O[C@@H](CNC(=O)c1cccc(NC2CCOCC2)c1)CN1CCc2ccccc2C1 |r| Show InChI InChI=1S/C24H31N3O3/c28-23(17-27-11-8-18-4-1-2-5-20(18)16-27)15-25-24(29)19-6-3-7-22(14-19)26-21-9-12-30-13-10-21/h1-7,14,21,23,26,28H,8-13,15-17H2,(H,25,29)/t23-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. US Patent					Assay Description The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....				US Patent US9675614 (2017) BindingDB Entry DOI: 10.7270/Q2MW2F9B
					More data for this Ligand-Target Pair				3D Structure (crystal)
PRMT5/MeP50 (Homo sapiens (Human))	BDBM176872 (US10307413, Compound 44 | US10391089, Compound 44 ...) Show SMILES O[C@@H](CNC(=O)c1cccc(NC2CCOCC2)c1)CN1CCc2ccccc2C1 |r| Show InChI InChI=1S/C24H31N3O3/c28-23(17-27-11-8-18-4-1-2-5-20(18)16-27)15-25-24(29)19-6-3-7-22(14-19)26-21-9-12-30-13-10-21/h1-7,14,21,23,26,28H,8-13,15-17H2,(H,25,29)/t23-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....				J Med Chem 52: 3073-83 (2009) BindingDB Entry DOI: 10.7270/Q2ZG6VMT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM176872 (US10307413, Compound 44 | US10391089, Compound 44 ...) Show SMILES O[C@@H](CNC(=O)c1cccc(NC2CCOCC2)c1)CN1CCc2ccccc2C1 |r| Show InChI InChI=1S/C24H31N3O3/c28-23(17-27-11-8-18-4-1-2-5-20(18)16-27)15-25-24(29)19-6-3-7-22(14-19)26-21-9-12-30-13-10-21/h1-7,14,21,23,26,28H,8-13,15-17H2,(H,25,29)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
PRMT5/MeP50 (Homo sapiens (Human))	BDBM176872 (US10307413, Compound 44 | US10391089, Compound 44 ...) Show SMILES O[C@@H](CNC(=O)c1cccc(NC2CCOCC2)c1)CN1CCc2ccccc2C1 |r| Show InChI InChI=1S/C24H31N3O3/c28-23(17-27-11-8-18-4-1-2-5-20(18)16-27)15-25-24(29)19-6-3-7-22(14-19)26-21-9-12-30-13-10-21/h1-7,14,21,23,26,28H,8-13,15-17H2,(H,25,29)/t23-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. US Patent					Assay Description The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....				US Patent US10980794 (2021)
					More data for this Ligand-Target Pair				3D Structure (crystal)
PRMT5/MEP50 Enzyme (Homo sapiens (Human))	BDBM176872 (US10307413, Compound 44 | US10391089, Compound 44 ...) Show SMILES O[C@@H](CNC(=O)c1cccc(NC2CCOCC2)c1)CN1CCc2ccccc2C1 |r| Show InChI InChI=1S/C24H31N3O3/c28-23(17-27-11-8-18-4-1-2-5-20(18)16-27)15-25-24(29)19-6-3-7-22(14-19)26-21-9-12-30-13-10-21/h1-7,14,21,23,26,28H,8-13,15-17H2,(H,25,29)/t23-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
PRMT5/MEP50 Enzyme (Homo sapiens (Human))	BDBM176872 (US10307413, Compound 44 | US10391089, Compound 44 ...) Show SMILES O[C@@H](CNC(=O)c1cccc(NC2CCOCC2)c1)CN1CCc2ccccc2C1 |r| Show InChI InChI=1S/C24H31N3O3/c28-23(17-27-11-8-18-4-1-2-5-20(18)16-27)15-25-24(29)19-6-3-7-22(14-19)26-21-9-12-30-13-10-21/h1-7,14,21,23,26,28H,8-13,15-17H2,(H,25,29)/t23-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. US Patent					Assay Description The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....				US Patent US10391089 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B7D
					More data for this Ligand-Target Pair				3D Structure (crystal)